Geometry & MOs

Info

ID:	216462
PubChem CID:	85086273
Reduced:	NO5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-223.46
Dipole, Da:	3.87
IP(EA), eV:	-9.84(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-but-2-ynoylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=C)C(=O)NCC1C2C(C(O1)OC)OC(O2)(C)C

DOS

IR

Vibrations